5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C23H38N6O2 — CID 135879524

IUPAC5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)CC3CCCCC3)nc12
InChIInChI=1S/C23H38N6O2/c1-3-8-19-20-21(27(2)26-19)22(30)25-23(24-20)29(17-18-9-5-4-6-10-18)12-7-11-28-13-15-31-16-14-28/h18H,3-17H2,1-2H3,(H,24,25,30)
InChIKeyPBCODZXWOCFTDB-UHFFFAOYSA-N
MW430.60 g/mol
LogP2.72
Rot. Bonds9

About 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135879524) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135879524
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC Name5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)CC3CCCCC3)nc12
InChIInChI=1S/C23H38N6O2/c1-3-8-19-20-21(27(2)26-19)22(30)25-23(24-20)29(17-18-9-5-4-6-10-18)12-7-11-28-13-15-31-16-14-28/h18H,3-17H2,1-2H3,(H,24,25,30)
InChIKeyPBCODZXWOCFTDB-UHFFFAOYSA-N
XLogP2.72
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135879524) is 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(N(CCCN3CCOCC3)CC3CCCCC3)nc12.
What is the InChIKey of 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is PBCODZXWOCFTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-3-8-19-20-21(27(2)26-19)22(30)25-23(24-20)29(17-18-9-5-4-6-10-18)12-7-11-28-13-15-31-16-14-28/h18H,3-17H2,1-2H3,(H,24,25,30).
What are the key properties of 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 430.60 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylmethyl(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135879524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).